2-[4-oxidanylidene-2-(2-propoxyphenyl)-1H-quinazolin-8-yl]octan-3-yl methanesulfonate

Systemtic Name: 2-[4-oxidanylidene-2-(2-propoxyphenyl)-1H-quinazolin-8-yl]octan-3-yl methanesulfonate Openeye Name: 1-[1-[4-oxo-2-(2-propoxyphenyl)-1H-quinazolin-8-yl]ethyl]hexyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-oxo-2-(2-propoxyphenyl)-1H-quinazolin-8-yl]octan-3-yl ester IUPAC Name: 2-[4-oxo-2-(2-propoxyphenyl)-1H-quinazolin-8-yl]octan-3-yl methanesulfonate Traditional Name: methanesulfonic acid 1-[1-[4-keto-2-(2-propoxyphenyl)-1H-quinazolin-8-yl]ethyl]hexyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)C1=CC=CC2=C1NC(=NC2=O)C3=CC=CC=C3OCCC)OS(=O)(=O)C

Isomeric SMILES

CCCCCC(C(C)C1=CC=CC2=C1NC(=NC2=O)C3=CC=CC=C3OCCC)OS(=O)(=O)C

InChI

InChI=1S/C26H34N2O5S/c1-5-7-8-15-22(33-34(4,30)31)18(3)19-13-11-14-21-24(19)27-25(28-26(21)29)20-12-9-10-16-23(20)32-17-6-2/h9-14,16,18,22H,5-8,15,17H2,1-4H3,(H,27,28,29)